N-[[3-(phenylmethyl)-1H-imidazol-3-ium-2-yl]methyl]-7H-purin-6-amine

Systemtic Name: N-[[3-(phenylmethyl)-1H-imidazol-3-ium-2-yl]methyl]-7H-purin-6-amine Openeye Name: N-[(3-benzyl-1H-imidazol-3-ium-2-yl)methyl]-7H-purin-6-amine CAS Name: N-[[3-(phenylmethyl)-1H-imidazol-3-ium-2-yl]methyl]-7H-purin-6-amine IUPAC Name: N-[(3-benzyl-1H-imidazol-3-ium-2-yl)methyl]-7H-purin-6-amine Traditional Name: (3-benzyl-1H-imidazol-3-ium-2-yl)methyl-(7H-purin-6-yl)amine Formula: C16H16N7+ MolecularWeight: 306.34514

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=C(NC=C2)CNC3=NC=NC4=C3NC=N4

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=C(NC=C2)CNC3=NC=NC4=C3NC=N4

InChI

InChI=1S/C16H15N7/c1-2-4-12(5-3-1)9-23-7-6-17-13(23)8-18-15-14-16(20-10-19-14)22-11-21-15/h1-7,10-11H,8-9H2,(H2,18,19,20,21,22)/p+1